1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone

C13H18O — CID 143932314

IUPAC1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone
SMILESC=C/C=C1C(=C/C)\CCC[C@@H]\1C(C)=O
InChIInChI=1S/C13H18O/c1-4-7-13-11(5-2)8-6-9-12(13)10(3)14/h4-5,7,12H,1,6,8-9H2,2-3H3/b11-5-,13-7+/t12-/m1/s1
InChIKeyUVHZPKKQDGSOKT-ACRFVGBLSA-N
MW190.29 g/mol
LogP3.43
Rot. Bonds2

About 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone

1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone (PubChem CID 143932314) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone
PubChem CID143932314
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone
SMILESC=C/C=C1C(=C/C)\CCC[C@@H]\1C(C)=O
InChIInChI=1S/C13H18O/c1-4-7-13-11(5-2)8-6-9-12(13)10(3)14/h4-5,7,12H,1,6,8-9H2,2-3H3/b11-5-,13-7+/t12-/m1/s1
InChIKeyUVHZPKKQDGSOKT-ACRFVGBLSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(1Z,2Z)-1-ethylidene-3-methyl-2-prop-2-enylidenecyclohexane
CID 157035804
N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
CID 143175426
ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
CID 143175425
ethane;(1Z,2Z)-1-ethylidene-3-propan-2-yl-2-prop-2-enylidenecyclopentane
CID 157035822
1-ethylidene-2-prop-2-enylidenecyclooctane
CID 91407681
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
1-(2-propan-2-ylidenecyclopentyl)ethanone
CID 102250451
(2E,3Z)-3-ethylidene-2-prop-2-enylidene-N-prop-2-ynylcyclopentan-1-amine
CID 126547356
2-acetylcyclododecan-1-one
CID 4255606
N-[(E)-[(2Z)-2-ethylidene-6-phosphanylcyclohexylidene]methyl]methanimine
CID 143214136
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone?
The IUPAC name of 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone (CID 143932314) is 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone.
What is the SMILES notation for 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone?
The canonical SMILES for 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone is C=C/C=C1C(=C/C)\CCC[C@@H]\1C(C)=O.
What is the InChIKey of 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone?
The InChIKey is UVHZPKKQDGSOKT-ACRFVGBLSA-N. The full InChI is InChI=1S/C13H18O/c1-4-7-13-11(5-2)8-6-9-12(13)10(3)14/h4-5,7,12H,1,6,8-9H2,2-3H3/b11-5-,13-7+/t12-/m1/s1.
What are the key properties of 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone?
1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone has a molecular weight of 190.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2Z,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]ethanone is sourced from PubChem (CID 143932314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).